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In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg2SiO4 olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in {110} planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in {110} planes at low temperature. This study also highlights the difference between dislocation glide mechanism in {110} versus (010) or (100) for which glide is expected to occur through a locking–unlocking mechanism. Résumé. Dans cette étude, nous présentons les résultats de calculs atomiques de la structure de coeur de la dislocation vis de vecteur de Burgers [001] dans l’olivine (Mg,Fe)2SiO4. Nos simulations, reposant sur l’utilisation du potentiel semi-empirique THB1, montrent que la configuration stable de la dislocation vis correspond à une structure de coeur dissociée dans les plans {110}. A basse température, le glissement des dislocations de vecteur de Burgers [001] dans les plans {110} de l’olivine est donc favorisé.

comptes rendus physique

The core structure of screw dislocations with [001] Burgers vector in Mg<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow /> <mml:mn>2</mml:mn> </mml:msub></mml:math>SiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow /> <mml:mn>4</mml:mn> </mml:msub></mml:math> olivine

The core structure of screw dislocations with [001] Burgers vector in Mg 2 SiO 4 olivine